10-Deacetyltaxol C
CAS Registry Number®
154677-95-9
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CAS Name
10-Deacetyltaxol CMolecular Formula
C44H55NO13Molecular Mass
805.91Cite this Page
10-Deacetyltaxol C. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=154677-95-9 (retrieved ) (CAS RN: 154677-95-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C44H55NO13/c1-7-8-11-20-31(48)45-33(26-16-12-9-13-17-26)35(50)40(53)56-28-22-44(54)38(57-39(52)27-18-14-10-15-19-27)36-42(6,37(51)34(49)32(24(28)2)41(44,4)5)29(47)21-30-43(36,23-55-30)58-25(3)46/h9-10,12-19,28-30,33-36,38,47,49-50,54H,7-8,11,20-23H2,1-6H3,(H,45,48)/t28-,29-,30+,33-,34+,35+,36-,38-,42+,43-,44+/m0/s1
InChIKey
InChIKey=OUZGCGZMZBOCBH-MNLIZOKASA-N
SMILES
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(CCCCC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Canonical SMILES
O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(O)C4=C(C)C(OC(=O)C(O)C(NC(=O)CCCCC)C=5C=CC=CC5)CC1(O)C4(C)C)C)C=6C=CC=CC6
Other Names for this Substance
- Benzenepropanoic acid, α-hydroxy-β-[(1-oxohexyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
- Benzenepropanoic acid, α-hydroxy-β-[(1-oxohexyl)amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
- 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
- 10-Deacetyltaxol C
- 10-Deacetylpaclitaxel C
Deleted or Replaced CAS Registry Numbers
153083-52-4
